This work investigates the correlation between dipole formation and surface energy at a nonplanar dielectric interface on a Si nanowire (NW) by means of molecular dynamics simulations. According to the atom and charge distribution obtained by simulations, the built-in electric field and potential are calculated at the dielectric interface based on the Poisson equation. It is found that the built-in potential is dependent on the diameter of the Si NW, which is attributed to the dependence of the surface energy difference on the surface curvature of the dielectric heterointerface, driving atom diffusion and leading to a dipole layer at the interface. The impact of the built-in potential on the threshold voltage of a transistor with a multigate configuration is discussed as well.
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